1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide
TL;DR: 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide (CAS 91197-77-2) is a chemical compound with molecular formula C7H7O2PS2 and molecular weight 217.96251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2λ5-benzodioxaphosphole
Also Known As: 5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2, 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide, 5-Methyl-2-sulfanyl-2H-1,3,2lambda~5~-benzodioxaphosphole-2-thione, 3-methyl-8-sulfanyl-8-sulfanylidene-7,9-dioxa-8$l^{5}-phosphabicyclo[4.3.0]nona-2,4,10-triene
Technical Specifications
| Molecular Formula | C7H7O2PS2 |
| Molecular Weight | 217.96251 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.96251 Da |
| Heavy Atoms | 12 |
| Complexity | 233.0 |
| SMILES | CC1=CC2=C(C=C1)OP(=S)(O2)S |
| InChIKey | BWYQDSHNRJDONV-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide
Property Insights of 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide
The XLogP value of 3.8 indicates that 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide?
The CAS number of 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide is 91197-77-2.
What is the molecular formula of 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide?
The molecular formula of 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide is C7H7O2PS2.
What is the molecular weight of 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide?
The molecular weight of 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide is 217.96251 g/mol.
Where can I buy 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide?
You can request a quote for 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide?
Yes, CoreyChem provides custom synthesis services for 1,3,2-Benzodioxaphosphole, 2-mercapto-5-methyl-, 2-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.